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CAS No.: | 704-14-3 |
---|---|
Name: | 5-Methoxy-2-nitrophenol |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C7H7NO4 |
Molecular Weight: | 169.137 |
Synonyms: | 2-Hydroxy-4-methoxynitrobenzene;2-Nitro-5-methoxyphenol;3-Methoxy-6-nitrophenol;5-Methoxy-2-nitrophenol;NSC1167; |
Density: | 1.367 g/cm3 |
Melting Point: | 92-94 °C |
Boiling Point: | 297.4 °C at 760 mmHg |
Flash Point: | 133.7 °C |
Appearance: | yellow crystals or powder |
Hazard Symbols: | Xi |
Risk Codes: | 37/38-41-36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 75.28000 |
LogP: | 1.83220 |
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The 5-Methoxy-2-nitrophenol, with the CAS registry number 704-14-3, is also known as 2-Nitro-5-methoxyphenol. It belongs to the product categories of Classes of Aromatic Phenols; Organic Building Blocks; Oxygen Compounds; Phenols. This chemical's molecular formula is C7H7NO4 and molecular weight is 169.13. What's more, its systematic name is 5-Methoxy-2-nitrophenol.
Physical properties of 5-Methoxy-2-nitrophenol are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 64.28Å2; (7)Index of Refraction: 1.583; (8)Molar Refractivity: 41.35 cm3; (9)Molar Volume: 123.7 cm3; (10)Polarizability: 16.39×10-24cm3; (11)Surface Tension: 53.4 dyne/cm; (12)Density: 1.367 g/cm3; (13)Flash Point: 133.7 °C; (14)Enthalpy of Vaporization: 55.87 kJ/mol; (15)Boiling Point: 297.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000764 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-methoxy-phenol. This reaction will need reagent claycop and solvent acetic anhydride and diethyl ether. The yield is about 79%.
Uses of 5-Methoxy-2-nitrophenol: it can be used to produce 2-Amino-5-methoxy-phenol at 70°C. It will need reagent aq. formic acid and KOH and solvent ethanol with the reaction time of 4 hours.This reaction will also need catalyst Pd/C. The yield is about 59%.
When you are using this chemical, please be cautious about it as the following:
It may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. It has the serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. You should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(OC)cc1O
(2)Std. InChI: InChI=1S/C7H7NO4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3
(3)Std. InChIKey: NRTULWPODYLFOJ-UHFFFAOYSA-N